methyl 5-(2-fluorophenyl)pyrazolidine-3-carboxylate

C11H13FN2O2 — CID 74414115

IUPACmethyl 5-(2-fluorophenyl)pyrazolidine-3-carboxylate
SMILESCOC(=O)C1CC(c2ccccc2F)NN1
InChIInChI=1S/C11H13FN2O2/c1-16-11(15)10-6-9(13-14-10)7-4-2-3-5-8(7)12/h2-5,9-10,13-14H,6H2,1H3
InChIKeyQHYWDYKLLAUCHX-UHFFFAOYSA-N
MW224.23 g/mol
LogP0.91
Rot. Bonds2

About methyl 5-(2-fluorophenyl)pyrazolidine-3-carboxylate

methyl 5-(2-fluorophenyl)pyrazolidine-3-carboxylate (PubChem CID 74414115) has the molecular formula C11H13FN2O2 and a molecular weight of 224.23 g/mol. Its IUPAC name is methyl 5-(2-fluorophenyl)pyrazolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-fluorophenyl)pyrazolidine-3-carboxylate
PubChem CID74414115
Molecular FormulaC11H13FN2O2
Molecular Weight224.23 g/mol
Exact Mass224.10
IUPAC Namemethyl 5-(2-fluorophenyl)pyrazolidine-3-carboxylate
SMILESCOC(=O)C1CC(c2ccccc2F)NN1
InChIInChI=1S/C11H13FN2O2/c1-16-11(15)10-6-9(13-14-10)7-4-2-3-5-8(7)12/h2-5,9-10,13-14H,6H2,1H3
InChIKeyQHYWDYKLLAUCHX-UHFFFAOYSA-N
XLogP0.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 162419071
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Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-fluorophenyl)pyrazolidine-3-carboxylate?
The IUPAC name of methyl 5-(2-fluorophenyl)pyrazolidine-3-carboxylate (CID 74414115) is methyl 5-(2-fluorophenyl)pyrazolidine-3-carboxylate.
What is the SMILES notation for methyl 5-(2-fluorophenyl)pyrazolidine-3-carboxylate?
The canonical SMILES for methyl 5-(2-fluorophenyl)pyrazolidine-3-carboxylate is COC(=O)C1CC(c2ccccc2F)NN1.
What is the InChIKey of methyl 5-(2-fluorophenyl)pyrazolidine-3-carboxylate?
The InChIKey is QHYWDYKLLAUCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c1-16-11(15)10-6-9(13-14-10)7-4-2-3-5-8(7)12/h2-5,9-10,13-14H,6H2,1H3.
What are the key properties of methyl 5-(2-fluorophenyl)pyrazolidine-3-carboxylate?
methyl 5-(2-fluorophenyl)pyrazolidine-3-carboxylate has a molecular weight of 224.23 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-fluorophenyl)pyrazolidine-3-carboxylate is sourced from PubChem (CID 74414115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).